SCHEMBL6089752

SCHEMBL6089752

c1ccc(OCc2nnn[nH]2)c(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.55
CYSLTR2 Q9NS75 6/20 0.55
GPBAR1 Q8TDU6 1/20 0.47
PDE10A Q9Y233 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7714941 0.94 CYSLTR1 (0.47) CYSLTR1CYSLTR2PDE10A
SCHEMBL7008540 0.93 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7710959 0.92 CYSLTR1 (0.56) CYSLTR1CYSLTR2
SCHEMBL10421916 0.92 CYSLTR1 (0.56) CYSLTR1CYSLTR2
SCHEMBL10546763 0.91 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL7717000 0.89 CYSLTR1 (0.55) CYSLTR1CYSLTR2
SCHEMBL7716997 0.89 CYSLTR2 (0.52) CYSLTR1CYSLTR2
SCHEMBL10546151 0.89 CYSLTR1 (0.45) CYSLTR1CYSLTR2PDE10A
SCHEMBL10544006 0.89 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL7714687 0.88 CYSLTR1 (0.53) CYSLTR1CYSLTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-1267874-A2 THERAPEUTIC USES OF PPAR MEDIATORS Aventis Pharma Deutschland GmbH (DE) 2003-01-02 EP disclosed
EP-1030665-A4 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARM PROD INC (US) 2002-11-27 EP disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2001066098-A2 THERAPEUTIC USES OF PPAR MEDIATORS AVENTIS PHARMA DEUTSCHLAND GMBH 2001-09-13 WO disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed
EP-1030665-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999020275-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-04-29 WO disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed